7-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-bromophenyl)-4-[(2,5-dimethylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H22BrN3S MolecularWeight: 500.45268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H22BrN3S/c1-18-8-9-19(2)21(14-18)16-32-27-25-24(20-6-4-3-5-7-20)15-31(26(25)29-17-30-27)23-12-10-22(28)11-13-23/h3-15,17H,16H2,1-2H3